dc.creator | Caroena, G. | |
dc.creator | Justo Filho, João Francisco | |
dc.creator | Machado, W. V. M. | |
dc.creator | Assali, L. V. C. | |
dc.date.accessioned | 2013-10-21T11:16:23Z | |
dc.date.accessioned | 2018-07-04T16:26:20Z | |
dc.date.available | 2013-10-21T11:16:23Z | |
dc.date.available | 2018-07-04T16:26:20Z | |
dc.date.created | 2013-10-21T11:16:23Z | |
dc.date.issued | 2012 | |
dc.identifier | DIAMOND AND RELATED MATERIALS, LAUSANNE, v. 27-28, n. 5, supl. 1, Part 1, pp. 64-67, JUL-AUG, 2012 | |
dc.identifier | 0925-9635 | |
dc.identifier | http://www.producao.usp.br/handle/BDPI/35289 | |
dc.identifier | 10.1016/j.diamond.2012.06.001 | |
dc.identifier | http://dx.doi.org/10.1016/j.diamond.2012.06.001 | |
dc.identifier.uri | http://repositorioslatinoamericanos.uchile.cl/handle/2250/1635846 | |
dc.description.abstract | We performed a first principles investigation on the electronic properties of 4f-rare earth substitutional impurities in zincblende gallium nitride (GaN:REGa, with RE=Eu, Gd, Tb, Dy, Ho, Er and Tm). The calculations were performed within the all electron methodology and the density functional theory. We investigated how the introduction of the on-site Hubbard U potential (GGA + U) corrects the electronic properties of those impurities. We showed that a self-consistent procedure to compute the Hubbard potential provides a reliable description on the position of the 4f-related energy levels with respect of the GaN valence band top. The results were compared to available data coming from a recent phenomenological model. (C) 2012 Elsevier B.V. All rights reserved. | |
dc.language | eng | |
dc.publisher | ELSEVIER SCIENCE SA | |
dc.publisher | LAUSANNE | |
dc.relation | DIAMOND AND RELATED MATERIALS | |
dc.rights | Copyright ELSEVIER SCIENCE SA | |
dc.rights | restrictedAccess | |
dc.subject | GGA PLUS U | |
dc.subject | HUBBARD POTENTIAL | |
dc.subject | RARE-EARTH | |
dc.subject | GALLIUM NITRIDE | |
dc.subject | AB INITIO METHODS | |
dc.title | Rare-earth impurities in gallium nitride: The role of the Hubbard potential | |
dc.type | Artículos de revistas | |